1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one

C16H21N5O — CID 128992347

IUPAC1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCN(C)C(c2ncc[nH]2)C1)c1cccnc1
InChIInChI=1S/C16H21N5O/c1-12(13-4-3-5-17-10-13)16(22)21-9-8-20(2)14(11-21)15-18-6-7-19-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyPQTBIKRPPDYBPD-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.42
Rot. Bonds3

About 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one (PubChem CID 128992347) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
PubChem CID128992347
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCN(C)C(c2ncc[nH]2)C1)c1cccnc1
InChIInChI=1S/C16H21N5O/c1-12(13-4-3-5-17-10-13)16(22)21-9-8-20(2)14(11-21)15-18-6-7-19-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyPQTBIKRPPDYBPD-UHFFFAOYSA-N
XLogP1.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
CID 129333410
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 129341861
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one (CID 128992347) is 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one is CC(C(=O)N1CCN(C)C(c2ncc[nH]2)C1)c1cccnc1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The InChIKey is PQTBIKRPPDYBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(13-4-3-5-17-10-13)16(22)21-9-8-20(2)14(11-21)15-18-6-7-19-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one has a molecular weight of 299.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 128992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).